4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid

C12H8ClN2O3Se — CID 6435390

IUPAC—
SMILESO=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se]
InChIInChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-
InChIKeyOFVMDPDPIQQGJF-UITAMQMPSA-N
MW342.62 g/mol
LogP1.13
Rot. Bonds3

About 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid

4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid (PubChem CID 6435390) has the molecular formula C12H8ClN2O3Se and a molecular weight of 342.62 g/mol.

Molecular Properties

Compound Name4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid
PubChem CID6435390
Molecular FormulaC12H8ClN2O3Se
Molecular Weight342.62 g/mol
Exact Mass342.94
IUPAC Name—
SMILESO=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se]
InChIInChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-
InChIKeyOFVMDPDPIQQGJF-UITAMQMPSA-N
XLogP1.13
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The IUPAC name of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid (CID 6435390) is not available.
What is the SMILES notation for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The canonical SMILES for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid is O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1[Se].
What is the InChIKey of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
The InChIKey is OFVMDPDPIQQGJF-UITAMQMPSA-N. The full InChI is InChI=1S/C12H8ClN2O3Se/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,16,17)/b9-5-.
What are the key properties of 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid?
4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid has a molecular weight of 342.62 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-((4-Chlorophenyl)methylene)-5-oxo-2-selenoxo-1-imidazolidineacetic acid is sourced from PubChem (CID 6435390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).